1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene

C11H17F2N3O2S2 — CID 106057875

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C11H17F2N3O2S2/c1-16(8-4-7-14)20(17,18)15-9-5-2-3-6-10(9)19-11(12)13/h2-3,5-6,11,15H,4,7-8,14H2,1H3
InChIKeyANRQZPSFOCOKSN-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.94
Rot. Bonds8

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene (PubChem CID 106057875) has the molecular formula C11H17F2N3O2S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
PubChem CID106057875
Molecular FormulaC11H17F2N3O2S2
Molecular Weight325.41 g/mol
Exact Mass325.07
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C11H17F2N3O2S2/c1-16(8-4-7-14)20(17,18)15-9-5-2-3-6-10(9)19-11(12)13/h2-3,5-6,11,15H,4,7-8,14H2,1H3
InChIKeyANRQZPSFOCOKSN-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
CID 102904867
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
CID 114141477
2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 54952613
1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
CID 71851414
2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
CID 107650616

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene (CID 106057875) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene is CN(CCCN)S(=O)(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene?
The InChIKey is ANRQZPSFOCOKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S2/c1-16(8-4-7-14)20(17,18)15-9-5-2-3-6-10(9)19-11(12)13/h2-3,5-6,11,15H,4,7-8,14H2,1H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene has a molecular weight of 325.41 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene is sourced from PubChem (CID 106057875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).